REMARK Name = LIG001398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.448 0.628 -0.135 0.00 0.00 -0.298 NA ATOM 2 C LIG 1 1.826 -0.517 -0.808 0.00 0.00 +0.086 C ATOM 3 C LIG 1 0.793 -0.142 -1.875 0.00 0.00 +0.030 C ATOM 4 C LIG 1 -0.244 0.888 -1.400 0.00 0.00 +0.036 C ATOM 5 C LIG 1 -1.433 0.344 -0.656 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.511 -0.558 0.409 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -2.761 -0.857 0.965 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -3.879 -0.225 0.436 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -5.288 -0.350 0.827 0.00 0.00 +0.248 C ATOM 10 O LIG 1 -5.705 -1.118 1.669 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -6.004 0.531 0.034 0.00 0.00 -0.281 N ATOM 12 C LIG 1 -5.166 1.168 -0.976 0.00 0.00 +0.148 C ATOM 13 C LIG 1 -3.812 0.676 -0.621 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -2.587 0.944 -1.163 0.00 0.00 +0.130 A ATOM 15 O LIG 1 -2.362 1.802 -2.201 0.00 0.00 -0.490 OA ATOM 16 C LIG 1 -1.024 1.450 -2.619 0.00 0.00 +0.240 C ATOM 17 C LIG 1 0.425 2.035 -0.618 0.00 0.00 +0.030 C ATOM 18 C LIG 1 1.429 1.527 0.420 0.00 0.00 +0.086 C ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 -7.457 0.648 -0.008 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -8.078 -0.648 -0.531 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -7.852 -1.075 -1.664 0.00 0.00 -0.273 OA ATOM 22 N LIG 1 -8.867 -1.358 0.338 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -9.251 -2.220 -0.021 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -9.090 -1.127 1.670 0.00 0.00 +0.219 C ATOM 25 O LIG 1 -9.787 -1.897 2.328 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 -8.432 0.081 2.288 0.00 0.00 +0.098 C ATOM 27 C LIG 1 -8.114 1.162 1.271 0.00 0.00 +0.041 C ENDBRANCH 11 19 BRANCH 1 28 ATOM 28 C LIG 1 3.427 1.344 -0.969 0.00 0.00 +0.119 C BRANCH 28 31 ATOM 29 C LIG 1 6.584 -0.781 -0.500 0.00 0.00 -0.015 A ATOM 30 C LIG 1 5.427 -0.034 -0.236 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.667 0.528 -1.277 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.087 0.343 -2.599 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.236 -0.397 -2.875 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.978 -0.957 -1.833 0.00 0.00 +0.008 A BRANCH 29 39 ATOM 35 C LIG 1 8.652 -1.652 3.934 0.00 0.00 +0.172 C ATOM 36 N LIG 1 8.271 -1.738 2.546 0.00 0.00 -0.274 N ATOM 37 N LIG 1 8.778 -2.720 1.780 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 8.224 -2.498 0.585 0.00 0.00 +0.142 A ATOM 39 C LIG 1 7.364 -1.374 0.576 0.00 0.00 +0.020 A ATOM 40 C LIG 1 7.425 -0.904 1.873 0.00 0.00 +0.116 A ENDBRANCH 29 39 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 4